st-Ht31 P

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Catalog Number R0933
Molecular Formula C127H209N29O39
CAS# 252869-81-1
Purity >95%
Inchi InChI=1S/C127H209N29O39/c1-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43-93(160)140-86(62-98(168)169)116(184)147-85(60-66(3)4)117(185)154-103(70(11)19-2)123(191)145-83(51-55-97(166)167)113(181)142-81(49-53-95(162)163)111(179)138-74(15)106(174)136-75(16)108(176)150-89(65-157)118(186)146-84(40-36-57-132-127(130)131)124(192)155-58-37-42-91(155)120(188)152-101(68(7)8)122(190)148-87(63-99(170)171)115(183)139-76(17)109(177)153-102(69(9)10)125(193)156-59-38-41-90(156)119(187)143-82(50-54-96(164)165)112(180)141-80(48-52-92(129)159)114(182)151-100(67(5)6)121(189)144-79(39-34-35-56-128)110(178)137-73(14)105(173)135-71(12)104(172)133-64-94(161)134-72(13)107(175)149-88(126(194)195)61-77-44-46-78(158)47-45-77/h44-47,66-76,79-91,100-103,157-158H,18-43,48-65,128H2,1-17H3,(H2,129,159)(H,133,172)(H,134,161)(H,135,173)(H,136,174)(H,137,178)(H,138,179)(H,139,183)(H,140,160)(H,141,180)(H,142,181)(H,143,187)(H,144,189)(H,145,191)(H,146,186)(H,147,184)(H,148,190)(H,149,175)(H,150,176)(H,151,182)(H,152,188)(H,153,177)(H,154,185)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,194,195)(H4,130,131,132)/t70-,71-,72-,73-,74-,75-,76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,100-,101-,102-,103-/m0/s1
Inchi Key NBDRHYCLQPRFBT-CXWVXKSOSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O
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